General Information of the Compound
| Compound ID |
CP0308225
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| Compound Name |
2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)cyclopent-1-enecarboxamide
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| Structure |
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| Formula |
C23H21FN8O
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| Molecular Weight |
444.474
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| Canonical SMILES |
Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1
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| InChI |
InChI=1S/C23H21FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)
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| InChIKey |
QNHVQEHQTFEODG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound